USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot -88:sc= 1.32 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.937 K(o=2.3,f=-3.9!) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -8.71! C(o=-9.7!,f=-9.5!) USER MOD Set 2.2: A 35 THR OG1 : rot 126:sc= -0.959 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 40 SER OG : rot 144:sc= 0.86 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0823 (180deg=-0.488) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.0473 (180deg=-0.403) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 4:sc= -0.711 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 88:sc= 0.945 USER MOD Single : A 63 MET CE :methyl -117:sc= -1.58 (180deg=-6.63!) USER MOD Single : A 65 MET CE :methyl 161:sc= -0.345 (180deg=-1.09) USER MOD Single : A 69 MET CE :methyl -122:sc= -0.11 (180deg=-0.586) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.777 F(o=-2!,f=-0.78) USER MOD Single : A 72 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0807) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 11.192 3.325 0.444 1.00 0.00 N ATOM 42 CA CYS A 28 12.618 3.440 0.720 1.00 0.00 C ATOM 43 C CYS A 28 12.864 3.508 2.223 1.00 0.00 C ATOM 44 O CYS A 28 12.171 4.226 2.944 1.00 0.00 O ATOM 45 CB CYS A 28 13.187 4.690 0.050 1.00 0.00 C ATOM 46 SG CYS A 28 12.940 4.583 -1.740 1.00 0.00 S ATOM 0 HA CYS A 28 13.118 2.559 0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.697 5.581 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.249 4.785 0.276 1.00 0.00 H new ATOM 0 HG CYS A 28 13.422 5.648 -2.309 1.00 0.00 H new ATOM 52 N GLY A 29 13.851 2.751 2.685 1.00 0.00 N ATOM 53 CA GLY A 29 14.180 2.720 4.105 1.00 0.00 C ATOM 54 C GLY A 29 15.419 1.866 4.359 1.00 0.00 C ATOM 55 O GLY A 29 16.277 1.726 3.488 1.00 0.00 O ATOM 0 H GLY A 29 14.435 2.153 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.353 3.734 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.337 2.321 4.669 1.00 0.00 H new ATOM 59 N ARG A 30 15.508 1.304 5.559 1.00 0.00 N ATOM 60 CA ARG A 30 16.649 0.473 5.922 1.00 0.00 C ATOM 61 C ARG A 30 16.223 -0.980 6.093 1.00 0.00 C ATOM 62 O ARG A 30 15.129 -1.262 6.578 1.00 0.00 O ATOM 63 CB ARG A 30 17.261 0.980 7.231 1.00 0.00 C ATOM 64 CG ARG A 30 17.763 2.415 7.052 1.00 0.00 C ATOM 65 CD ARG A 30 19.014 2.405 6.174 1.00 0.00 C ATOM 66 NE ARG A 30 19.622 3.730 6.129 1.00 0.00 N ATOM 67 CZ ARG A 30 20.748 3.959 5.449 1.00 0.00 C ATOM 68 NH1 ARG A 30 21.346 2.993 4.797 1.00 0.00 N ATOM 69 NH2 ARG A 30 21.260 5.157 5.436 1.00 0.00 N ATOM 0 H ARG A 30 14.808 1.408 6.293 1.00 0.00 H new ATOM 0 HA ARG A 30 17.387 0.531 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.518 0.942 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.085 0.333 7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.988 3.029 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.989 2.857 8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.732 1.683 6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.754 2.084 5.165 1.00 0.00 H new ATOM 0 HE ARG A 30 19.177 4.500 6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.952 2.052 4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.206 3.182 4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.801 5.913 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.120 5.338 4.918 1.00 0.00 H new ATOM 83 N ALA A 31 17.091 -1.900 5.687 1.00 0.00 N ATOM 84 CA ALA A 31 16.790 -3.321 5.801 1.00 0.00 C ATOM 85 C ALA A 31 17.797 -4.001 6.723 1.00 0.00 C ATOM 86 O ALA A 31 19.003 -3.807 6.590 1.00 0.00 O ATOM 87 CB ALA A 31 16.830 -3.977 4.421 1.00 0.00 C ATOM 0 H ALA A 31 18.002 -1.689 5.279 1.00 0.00 H new ATOM 0 HA ALA A 31 15.791 -3.433 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.604 -5.039 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.092 -3.505 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.823 -3.855 3.989 1.00 0.00 H new ATOM 93 N ARG A 32 17.294 -4.799 7.659 1.00 0.00 N ATOM 94 CA ARG A 32 18.161 -5.498 8.597 1.00 0.00 C ATOM 95 C ARG A 32 18.152 -6.994 8.326 1.00 0.00 C ATOM 96 O ARG A 32 17.102 -7.600 8.137 1.00 0.00 O ATOM 97 CB ARG A 32 17.697 -5.228 10.032 1.00 0.00 C ATOM 98 CG ARG A 32 16.249 -5.693 10.198 1.00 0.00 C ATOM 99 CD ARG A 32 15.765 -5.371 11.609 1.00 0.00 C ATOM 100 NE ARG A 32 16.512 -6.138 12.597 1.00 0.00 N ATOM 101 CZ ARG A 32 16.396 -5.890 13.902 1.00 0.00 C ATOM 102 NH1 ARG A 32 15.601 -4.942 14.336 1.00 0.00 N ATOM 103 NH2 ARG A 32 17.080 -6.596 14.755 1.00 0.00 N ATOM 0 H ARG A 32 16.298 -4.976 7.787 1.00 0.00 H new ATOM 0 HA ARG A 32 19.179 -5.129 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.341 -5.752 10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.776 -4.164 10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.612 -5.201 9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.178 -6.765 10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.882 -4.305 11.805 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.702 -5.596 11.694 1.00 0.00 H new ATOM 0 HE ARG A 32 17.137 -6.881 12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.063 -4.385 13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.521 -4.762 15.337 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.701 -7.335 14.424 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.995 -6.411 15.754 1.00 0.00 H new ATOM 117 N VAL A 33 19.337 -7.582 8.290 1.00 0.00 N ATOM 118 CA VAL A 33 19.459 -9.006 8.025 1.00 0.00 C ATOM 119 C VAL A 33 19.307 -9.802 9.311 1.00 0.00 C ATOM 120 O VAL A 33 19.908 -9.472 10.333 1.00 0.00 O ATOM 121 CB VAL A 33 20.814 -9.309 7.390 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.935 -10.816 7.143 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.937 -8.557 6.061 1.00 0.00 C ATOM 0 H VAL A 33 20.223 -7.099 8.440 1.00 0.00 H new ATOM 0 HA VAL A 33 18.666 -9.296 7.335 1.00 0.00 H new ATOM 0 HB VAL A 33 21.611 -8.987 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.902 -11.034 6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.850 -11.348 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.139 -11.140 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.905 -8.774 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.142 -8.876 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.852 -7.485 6.240 1.00 0.00 H new ATOM 133 N HIS A 34 18.499 -10.850 9.249 1.00 0.00 N ATOM 134 CA HIS A 34 18.273 -11.698 10.417 1.00 0.00 C ATOM 135 C HIS A 34 18.742 -13.129 10.159 1.00 0.00 C ATOM 136 O HIS A 34 18.752 -13.960 11.066 1.00 0.00 O ATOM 137 CB HIS A 34 16.788 -11.701 10.787 1.00 0.00 C ATOM 138 CG HIS A 34 15.949 -11.653 9.538 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.864 -10.801 9.411 1.00 0.00 N ATOM 140 CD2 HIS A 34 16.023 -12.340 8.351 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.334 -10.998 8.189 1.00 0.00 C ATOM 142 NE2 HIS A 34 15.002 -11.927 7.504 1.00 0.00 N ATOM 0 H HIS A 34 17.991 -11.135 8.411 1.00 0.00 H new ATOM 0 HA HIS A 34 18.853 -11.290 11.245 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.549 -12.596 11.362 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.561 -10.844 11.422 1.00 0.00 H new ATOM 0 HD2 HIS A 34 16.764 -13.089 8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.473 -10.468 7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 34 14.806 -12.262 6.561 1.00 0.00 H new ATOM 150 N THR A 35 19.123 -13.416 8.919 1.00 0.00 N ATOM 151 CA THR A 35 19.584 -14.749 8.563 1.00 0.00 C ATOM 152 C THR A 35 20.902 -14.667 7.802 1.00 0.00 C ATOM 153 O THR A 35 21.239 -13.629 7.231 1.00 0.00 O ATOM 154 CB THR A 35 18.530 -15.443 7.694 1.00 0.00 C ATOM 155 OG1 THR A 35 18.328 -14.677 6.522 1.00 0.00 O ATOM 156 CG2 THR A 35 17.199 -15.564 8.445 1.00 0.00 C ATOM 0 H THR A 35 19.121 -12.747 8.149 1.00 0.00 H new ATOM 0 HA THR A 35 19.740 -15.324 9.476 1.00 0.00 H new ATOM 0 HB THR A 35 18.883 -16.444 7.444 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.451 -15.246 5.734 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.466 -16.060 7.809 1.00 0.00 H new ATOM 0 HG22 THR A 35 17.346 -16.149 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 35 16.838 -14.570 8.708 1.00 0.00 H new ATOM 164 N ASP A 36 21.643 -15.767 7.797 1.00 0.00 N ATOM 165 CA ASP A 36 22.924 -15.806 7.100 1.00 0.00 C ATOM 166 C ASP A 36 22.740 -16.291 5.666 1.00 0.00 C ATOM 167 O ASP A 36 22.555 -17.484 5.424 1.00 0.00 O ATOM 168 CB ASP A 36 23.889 -16.732 7.842 1.00 0.00 C ATOM 169 CG ASP A 36 25.235 -16.765 7.128 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.902 -15.744 7.118 1.00 0.00 O ATOM 171 OD2 ASP A 36 25.579 -17.810 6.603 1.00 0.00 O ATOM 0 H ASP A 36 21.384 -16.637 8.262 1.00 0.00 H new ATOM 0 HA ASP A 36 23.338 -14.798 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.021 -16.387 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.472 -17.738 7.895 1.00 0.00 H new ATOM 176 N PHE A 37 22.797 -15.360 4.716 1.00 0.00 N ATOM 177 CA PHE A 37 22.637 -15.714 3.313 1.00 0.00 C ATOM 178 C PHE A 37 23.884 -15.350 2.525 1.00 0.00 C ATOM 179 O PHE A 37 24.294 -14.187 2.490 1.00 0.00 O ATOM 180 CB PHE A 37 21.418 -14.999 2.724 1.00 0.00 C ATOM 181 CG PHE A 37 21.427 -15.130 1.217 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.692 -16.370 0.627 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.168 -14.011 0.410 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.704 -16.494 -0.768 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.180 -14.135 -0.985 1.00 0.00 C ATOM 186 CZ PHE A 37 21.448 -15.377 -1.573 1.00 0.00 C ATOM 0 H PHE A 37 22.951 -14.367 4.892 1.00 0.00 H new ATOM 0 HA PHE A 37 22.485 -16.791 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.502 -15.428 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.430 -13.946 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.887 -17.232 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 37 20.959 -13.054 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.911 -17.451 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 37 20.983 -13.274 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.457 -15.474 -2.649 1.00 0.00 H new ATOM 196 N THR A 38 24.483 -16.353 1.894 1.00 0.00 N ATOM 197 CA THR A 38 25.685 -16.125 1.107 1.00 0.00 C ATOM 198 C THR A 38 25.551 -16.753 -0.288 1.00 0.00 C ATOM 199 O THR A 38 25.020 -17.854 -0.428 1.00 0.00 O ATOM 200 CB THR A 38 26.908 -16.710 1.820 1.00 0.00 C ATOM 201 OG1 THR A 38 28.061 -16.474 1.026 1.00 0.00 O ATOM 202 CG2 THR A 38 26.724 -18.214 2.022 1.00 0.00 C ATOM 0 H THR A 38 24.160 -17.320 1.912 1.00 0.00 H new ATOM 0 HA THR A 38 25.816 -15.049 0.996 1.00 0.00 H new ATOM 0 HB THR A 38 27.024 -16.235 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.849 -16.844 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.598 -18.623 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.836 -18.394 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.607 -18.700 1.053 1.00 0.00 H new ATOM 210 N PRO A 39 26.016 -16.079 -1.315 1.00 0.00 N ATOM 211 CA PRO A 39 25.943 -16.589 -2.717 1.00 0.00 C ATOM 212 C PRO A 39 26.939 -17.713 -2.975 1.00 0.00 C ATOM 213 O PRO A 39 27.852 -17.945 -2.183 1.00 0.00 O ATOM 214 CB PRO A 39 26.261 -15.357 -3.564 1.00 0.00 C ATOM 215 CG PRO A 39 27.106 -14.492 -2.693 1.00 0.00 C ATOM 216 CD PRO A 39 26.664 -14.758 -1.258 1.00 0.00 C ATOM 0 HA PRO A 39 24.971 -17.026 -2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 39 26.789 -15.632 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 39 25.350 -14.841 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.163 -14.725 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 39 26.978 -13.440 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.513 -14.761 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 39 25.974 -13.991 -0.906 1.00 0.00 H new ATOM 224 N SER A 40 26.750 -18.411 -4.084 1.00 0.00 N ATOM 225 CA SER A 40 27.629 -19.520 -4.436 1.00 0.00 C ATOM 226 C SER A 40 29.024 -19.009 -4.796 1.00 0.00 C ATOM 227 O SER A 40 29.207 -17.827 -5.081 1.00 0.00 O ATOM 228 CB SER A 40 27.043 -20.284 -5.620 1.00 0.00 C ATOM 229 OG SER A 40 27.095 -19.461 -6.774 1.00 0.00 O ATOM 0 H SER A 40 26.001 -18.233 -4.753 1.00 0.00 H new ATOM 0 HA SER A 40 27.712 -20.184 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.603 -21.204 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.013 -20.572 -5.409 1.00 0.00 H new ATOM 0 HG SER A 40 27.291 -20.012 -7.560 1.00 0.00 H new ATOM 235 N PRO A 41 30.010 -19.872 -4.779 1.00 0.00 N ATOM 236 CA PRO A 41 31.424 -19.494 -5.108 1.00 0.00 C ATOM 237 C PRO A 41 31.541 -18.854 -6.490 1.00 0.00 C ATOM 238 O PRO A 41 32.358 -17.960 -6.705 1.00 0.00 O ATOM 239 CB PRO A 41 32.174 -20.828 -5.066 1.00 0.00 C ATOM 240 CG PRO A 41 31.344 -21.718 -4.205 1.00 0.00 C ATOM 241 CD PRO A 41 29.898 -21.305 -4.453 1.00 0.00 C ATOM 0 HA PRO A 41 31.820 -18.752 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 41 32.291 -21.245 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.175 -20.704 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 41 31.501 -22.766 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 41 31.609 -21.603 -3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 41 29.452 -21.871 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 41 29.275 -21.471 -3.574 1.00 0.00 H new ATOM 249 N TYR A 42 30.717 -19.321 -7.422 1.00 0.00 N ATOM 250 CA TYR A 42 30.733 -18.789 -8.779 1.00 0.00 C ATOM 251 C TYR A 42 29.806 -17.577 -8.902 1.00 0.00 C ATOM 252 O TYR A 42 29.552 -17.093 -10.005 1.00 0.00 O ATOM 253 CB TYR A 42 30.303 -19.868 -9.779 1.00 0.00 C ATOM 254 CG TYR A 42 28.913 -20.348 -9.440 1.00 0.00 C ATOM 255 CD1 TYR A 42 27.799 -19.660 -9.934 1.00 0.00 C ATOM 256 CD2 TYR A 42 28.738 -21.485 -8.642 1.00 0.00 C ATOM 257 CE1 TYR A 42 26.509 -20.106 -9.624 1.00 0.00 C ATOM 258 CE2 TYR A 42 27.448 -21.931 -8.333 1.00 0.00 C ATOM 259 CZ TYR A 42 26.333 -21.242 -8.824 1.00 0.00 C ATOM 260 OH TYR A 42 25.060 -21.680 -8.516 1.00 0.00 O ATOM 0 H TYR A 42 30.034 -20.062 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 42 31.752 -18.474 -9.004 1.00 0.00 H new ATOM 0 HB2 TYR A 42 30.323 -19.467 -10.793 1.00 0.00 H new ATOM 0 HB3 TYR A 42 31.003 -20.703 -9.752 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.934 -18.786 -10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 42 29.598 -22.018 -8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 42 25.649 -19.574 -10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 42 27.313 -22.807 -7.716 1.00 0.00 H new ATOM 0 HH TYR A 42 25.117 -22.481 -7.954 1.00 0.00 H new ATOM 270 N ASP A 43 29.305 -17.088 -7.768 1.00 0.00 N ATOM 271 CA ASP A 43 28.418 -15.930 -7.772 1.00 0.00 C ATOM 272 C ASP A 43 29.101 -14.735 -7.115 1.00 0.00 C ATOM 273 O ASP A 43 29.385 -14.754 -5.917 1.00 0.00 O ATOM 274 CB ASP A 43 27.127 -16.263 -7.022 1.00 0.00 C ATOM 275 CG ASP A 43 26.231 -17.138 -7.894 1.00 0.00 C ATOM 276 OD1 ASP A 43 26.530 -17.272 -9.068 1.00 0.00 O ATOM 277 OD2 ASP A 43 25.258 -17.659 -7.374 1.00 0.00 O ATOM 0 H ASP A 43 29.497 -17.473 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 43 28.181 -15.675 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.360 -16.780 -6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.604 -15.345 -6.755 1.00 0.00 H new ATOM 282 N THR A 44 29.357 -13.694 -7.901 1.00 0.00 N ATOM 283 CA THR A 44 29.998 -12.497 -7.374 1.00 0.00 C ATOM 284 C THR A 44 29.054 -11.304 -7.453 1.00 0.00 C ATOM 285 O THR A 44 29.113 -10.394 -6.625 1.00 0.00 O ATOM 286 CB THR A 44 31.269 -12.196 -8.170 1.00 0.00 C ATOM 287 OG1 THR A 44 30.926 -11.931 -9.523 1.00 0.00 O ATOM 288 CG2 THR A 44 32.207 -13.402 -8.109 1.00 0.00 C ATOM 0 H THR A 44 29.133 -13.655 -8.895 1.00 0.00 H new ATOM 0 HA THR A 44 30.254 -12.674 -6.329 1.00 0.00 H new ATOM 0 HB THR A 44 31.769 -11.326 -7.743 1.00 0.00 H new ATOM 0 HG1 THR A 44 31.739 -11.736 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 44 33.113 -13.188 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 44 32.469 -13.607 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 44 31.709 -14.272 -8.536 1.00 0.00 H new ATOM 296 N ASP A 45 28.182 -11.319 -8.456 1.00 0.00 N ATOM 297 CA ASP A 45 27.220 -10.238 -8.645 1.00 0.00 C ATOM 298 C ASP A 45 26.265 -10.158 -7.459 1.00 0.00 C ATOM 299 O ASP A 45 25.871 -9.071 -7.038 1.00 0.00 O ATOM 300 CB ASP A 45 26.424 -10.459 -9.932 1.00 0.00 C ATOM 301 CG ASP A 45 27.318 -10.226 -11.144 1.00 0.00 C ATOM 302 OD1 ASP A 45 28.388 -9.666 -10.968 1.00 0.00 O ATOM 303 OD2 ASP A 45 26.922 -10.611 -12.233 1.00 0.00 O ATOM 0 H ASP A 45 28.121 -12.065 -9.149 1.00 0.00 H new ATOM 0 HA ASP A 45 27.769 -9.300 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.026 -11.473 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 45 25.571 -9.781 -9.963 1.00 0.00 H new ATOM 308 N SER A 46 25.896 -11.319 -6.931 1.00 0.00 N ATOM 309 CA SER A 46 24.981 -11.382 -5.795 1.00 0.00 C ATOM 310 C SER A 46 25.551 -10.622 -4.605 1.00 0.00 C ATOM 311 O SER A 46 26.766 -10.491 -4.463 1.00 0.00 O ATOM 312 CB SER A 46 24.742 -12.837 -5.401 1.00 0.00 C ATOM 313 OG SER A 46 24.103 -13.517 -6.474 1.00 0.00 O ATOM 0 H SER A 46 26.214 -12.227 -7.269 1.00 0.00 H new ATOM 0 HA SER A 46 24.037 -10.922 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 46 25.689 -13.321 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.123 -12.886 -4.505 1.00 0.00 H new ATOM 0 HG SER A 46 23.950 -14.452 -6.224 1.00 0.00 H new ATOM 319 N LEU A 47 24.666 -10.124 -3.751 1.00 0.00 N ATOM 320 CA LEU A 47 25.093 -9.377 -2.575 1.00 0.00 C ATOM 321 C LEU A 47 25.254 -10.311 -1.377 1.00 0.00 C ATOM 322 O LEU A 47 24.372 -11.119 -1.084 1.00 0.00 O ATOM 323 CB LEU A 47 24.064 -8.289 -2.255 1.00 0.00 C ATOM 324 CG LEU A 47 24.784 -6.993 -1.843 1.00 0.00 C ATOM 325 CD1 LEU A 47 25.777 -7.292 -0.709 1.00 0.00 C ATOM 326 CD2 LEU A 47 25.521 -6.364 -3.055 1.00 0.00 C ATOM 0 H LEU A 47 23.656 -10.223 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 47 26.057 -8.913 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.434 -8.105 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.408 -8.622 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 47 24.042 -6.276 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.286 -6.373 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.239 -7.695 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.512 -8.021 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.023 -5.449 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 47 26.259 -7.069 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.800 -6.131 -3.839 1.00 0.00 H new ATOM 338 N LYS A 48 26.375 -10.182 -0.677 1.00 0.00 N ATOM 339 CA LYS A 48 26.629 -11.006 0.495 1.00 0.00 C ATOM 340 C LYS A 48 26.029 -10.339 1.727 1.00 0.00 C ATOM 341 O LYS A 48 26.342 -9.187 2.027 1.00 0.00 O ATOM 342 CB LYS A 48 28.138 -11.172 0.684 1.00 0.00 C ATOM 343 CG LYS A 48 28.727 -11.848 -0.554 1.00 0.00 C ATOM 344 CD LYS A 48 30.233 -12.034 -0.379 1.00 0.00 C ATOM 345 CE LYS A 48 30.809 -12.707 -1.630 1.00 0.00 C ATOM 346 NZ LYS A 48 30.628 -11.824 -2.823 1.00 0.00 N ATOM 0 H LYS A 48 27.117 -9.519 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 48 26.172 -11.986 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.606 -10.200 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.342 -11.770 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.249 -12.814 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.527 -11.244 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.714 -11.069 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.436 -12.643 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.868 -12.918 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.313 -13.663 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.282 -12.119 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.649 -11.900 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.827 -10.838 -2.559 1.00 0.00 H new ATOM 360 N ILE A 49 25.168 -11.062 2.439 1.00 0.00 N ATOM 361 CA ILE A 49 24.536 -10.504 3.629 1.00 0.00 C ATOM 362 C ILE A 49 24.650 -11.475 4.802 1.00 0.00 C ATOM 363 O ILE A 49 24.614 -12.693 4.619 1.00 0.00 O ATOM 364 CB ILE A 49 23.064 -10.215 3.332 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.349 -11.522 2.982 1.00 0.00 C ATOM 366 CG2 ILE A 49 22.966 -9.247 2.149 1.00 0.00 C ATOM 367 CD1 ILE A 49 20.848 -11.265 2.839 1.00 0.00 C ATOM 0 H ILE A 49 24.896 -12.020 2.217 1.00 0.00 H new ATOM 0 HA ILE A 49 25.043 -9.578 3.899 1.00 0.00 H new ATOM 0 HB ILE A 49 22.595 -9.768 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.748 -11.929 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.528 -12.265 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 49 21.918 -9.039 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.477 -8.317 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.433 -9.695 1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.341 -12.197 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.454 -10.878 3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.678 -10.536 2.046 1.00 0.00 H new ATOM 379 N LYS A 50 24.777 -10.932 6.010 1.00 0.00 N ATOM 380 CA LYS A 50 24.891 -11.769 7.198 1.00 0.00 C ATOM 381 C LYS A 50 23.994 -11.236 8.307 1.00 0.00 C ATOM 382 O LYS A 50 23.599 -10.072 8.285 1.00 0.00 O ATOM 383 CB LYS A 50 26.340 -11.787 7.686 1.00 0.00 C ATOM 384 CG LYS A 50 27.276 -11.773 6.480 1.00 0.00 C ATOM 385 CD LYS A 50 28.715 -12.008 6.944 1.00 0.00 C ATOM 386 CE LYS A 50 29.647 -12.046 5.730 1.00 0.00 C ATOM 387 NZ LYS A 50 29.649 -10.712 5.063 1.00 0.00 N ATOM 0 H LYS A 50 24.803 -9.928 6.190 1.00 0.00 H new ATOM 0 HA LYS A 50 24.580 -12.781 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.533 -10.923 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.521 -12.675 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.982 -12.545 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.202 -10.817 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.022 -11.215 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.781 -12.946 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 50 30.657 -12.310 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.319 -12.814 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.482 -10.634 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.785 -10.607 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.681 -9.963 5.784 1.00 0.00 H new ATOM 401 N LYS A 51 23.676 -12.089 9.273 1.00 0.00 N ATOM 402 CA LYS A 51 22.822 -11.678 10.377 1.00 0.00 C ATOM 403 C LYS A 51 23.405 -10.453 11.078 1.00 0.00 C ATOM 404 O LYS A 51 24.533 -10.481 11.569 1.00 0.00 O ATOM 405 CB LYS A 51 22.687 -12.827 11.377 1.00 0.00 C ATOM 406 CG LYS A 51 21.756 -12.413 12.519 1.00 0.00 C ATOM 407 CD LYS A 51 21.597 -13.580 13.496 1.00 0.00 C ATOM 408 CE LYS A 51 20.663 -13.170 14.635 1.00 0.00 C ATOM 409 NZ LYS A 51 20.482 -14.317 15.570 1.00 0.00 N ATOM 0 H LYS A 51 23.993 -13.058 9.314 1.00 0.00 H new ATOM 0 HA LYS A 51 21.840 -11.420 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.293 -13.712 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.667 -13.094 11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.162 -11.544 13.037 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.783 -12.122 12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.194 -14.450 12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.569 -13.869 13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.077 -12.315 15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.698 -12.859 14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.847 -14.037 16.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.069 -15.121 15.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.404 -14.594 15.962 1.00 0.00 H new ATOM 423 N GLY A 52 22.620 -9.383 11.121 1.00 0.00 N ATOM 424 CA GLY A 52 23.048 -8.145 11.760 1.00 0.00 C ATOM 425 C GLY A 52 23.449 -7.097 10.724 1.00 0.00 C ATOM 426 O GLY A 52 23.448 -5.902 11.014 1.00 0.00 O ATOM 0 H GLY A 52 21.683 -9.348 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.241 -7.756 12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.890 -8.347 12.422 1.00 0.00 H new ATOM 430 N ASP A 53 23.776 -7.541 9.512 1.00 0.00 N ATOM 431 CA ASP A 53 24.159 -6.609 8.458 1.00 0.00 C ATOM 432 C ASP A 53 22.971 -5.741 8.044 1.00 0.00 C ATOM 433 O ASP A 53 21.833 -6.206 8.000 1.00 0.00 O ATOM 434 CB ASP A 53 24.671 -7.380 7.243 1.00 0.00 C ATOM 435 CG ASP A 53 26.042 -7.970 7.546 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.617 -7.596 8.555 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.500 -8.783 6.764 1.00 0.00 O ATOM 0 H ASP A 53 23.783 -8.524 9.240 1.00 0.00 H new ATOM 0 HA ASP A 53 24.949 -5.964 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.972 -8.175 6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.733 -6.717 6.380 1.00 0.00 H new ATOM 442 N ILE A 54 23.249 -4.476 7.741 1.00 0.00 N ATOM 443 CA ILE A 54 22.202 -3.543 7.327 1.00 0.00 C ATOM 444 C ILE A 54 22.385 -3.145 5.867 1.00 0.00 C ATOM 445 O ILE A 54 23.474 -2.744 5.453 1.00 0.00 O ATOM 446 CB ILE A 54 22.235 -2.288 8.206 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.931 -2.670 9.663 1.00 0.00 C ATOM 448 CG2 ILE A 54 21.188 -1.285 7.702 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.420 -2.852 9.853 1.00 0.00 C ATOM 0 H ILE A 54 24.186 -4.073 7.774 1.00 0.00 H new ATOM 0 HA ILE A 54 21.238 -4.040 7.441 1.00 0.00 H new ATOM 0 HB ILE A 54 23.224 -1.834 8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.452 -3.592 9.922 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.300 -1.895 10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.210 -0.392 8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.412 -1.013 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.198 -1.737 7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.213 -3.123 10.888 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.908 -1.920 9.613 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.063 -3.643 9.193 1.00 0.00 H new ATOM 461 N ILE A 55 21.316 -3.273 5.088 1.00 0.00 N ATOM 462 CA ILE A 55 21.372 -2.936 3.672 1.00 0.00 C ATOM 463 C ILE A 55 20.441 -1.769 3.358 1.00 0.00 C ATOM 464 O ILE A 55 19.285 -1.747 3.785 1.00 0.00 O ATOM 465 CB ILE A 55 20.959 -4.145 2.830 1.00 0.00 C ATOM 466 CG1 ILE A 55 21.465 -5.426 3.500 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.572 -4.028 1.430 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.233 -6.623 2.572 1.00 0.00 C ATOM 0 H ILE A 55 20.407 -3.605 5.411 1.00 0.00 H new ATOM 0 HA ILE A 55 22.396 -2.650 3.431 1.00 0.00 H new ATOM 0 HB ILE A 55 19.872 -4.178 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.526 -5.332 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 55 20.947 -5.582 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.277 -4.890 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.217 -3.115 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.659 -3.996 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.595 -7.532 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.167 -6.721 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.772 -6.468 1.637 1.00 0.00 H new ATOM 480 N ASP A 56 20.952 -0.801 2.610 1.00 0.00 N ATOM 481 CA ASP A 56 20.160 0.366 2.237 1.00 0.00 C ATOM 482 C ASP A 56 19.242 0.026 1.065 1.00 0.00 C ATOM 483 O ASP A 56 19.713 -0.315 -0.020 1.00 0.00 O ATOM 484 CB ASP A 56 21.078 1.527 1.852 1.00 0.00 C ATOM 485 CG ASP A 56 20.244 2.766 1.548 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.624 3.276 2.465 1.00 0.00 O ATOM 487 OD2 ASP A 56 20.237 3.186 0.403 1.00 0.00 O ATOM 0 H ASP A 56 21.906 -0.799 2.250 1.00 0.00 H new ATOM 0 HA ASP A 56 19.553 0.661 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.774 1.736 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.675 1.257 0.981 1.00 0.00 H new ATOM 492 N ILE A 57 17.932 0.115 1.294 1.00 0.00 N ATOM 493 CA ILE A 57 16.961 -0.197 0.248 1.00 0.00 C ATOM 494 C ILE A 57 17.032 0.829 -0.875 1.00 0.00 C ATOM 495 O ILE A 57 16.932 2.033 -0.639 1.00 0.00 O ATOM 496 CB ILE A 57 15.546 -0.203 0.834 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.449 -1.278 1.921 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.536 -0.507 -0.274 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.112 -1.149 2.656 1.00 0.00 C ATOM 0 H ILE A 57 17.523 0.397 2.185 1.00 0.00 H new ATOM 0 HA ILE A 57 17.198 -1.182 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 57 15.328 0.773 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.536 -2.269 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.274 -1.172 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.529 -0.511 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.605 0.257 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.754 -1.483 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.046 -1.915 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.043 -0.163 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.294 -1.277 1.948 1.00 0.00 H new ATOM 511 N ILE A 58 17.201 0.342 -2.101 1.00 0.00 N ATOM 512 CA ILE A 58 17.278 1.224 -3.258 1.00 0.00 C ATOM 513 C ILE A 58 16.078 1.009 -4.173 1.00 0.00 C ATOM 514 O ILE A 58 15.309 1.934 -4.437 1.00 0.00 O ATOM 515 CB ILE A 58 18.568 0.956 -4.035 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.774 1.253 -3.138 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.619 1.858 -5.270 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.056 0.751 -3.810 1.00 0.00 C ATOM 0 H ILE A 58 17.287 -0.651 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 58 17.274 2.256 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 58 18.593 -0.088 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.845 2.325 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.647 0.769 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.539 1.666 -5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.761 1.649 -5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.594 2.902 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.911 0.965 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.984 -0.324 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.186 1.255 -4.768 1.00 0.00 H new ATOM 530 N CYS A 59 15.925 -0.222 -4.658 1.00 0.00 N ATOM 531 CA CYS A 59 14.815 -0.554 -5.547 1.00 0.00 C ATOM 532 C CYS A 59 14.320 -1.975 -5.294 1.00 0.00 C ATOM 533 O CYS A 59 14.967 -2.754 -4.593 1.00 0.00 O ATOM 534 CB CYS A 59 15.243 -0.399 -7.010 1.00 0.00 C ATOM 535 SG CYS A 59 15.577 1.346 -7.356 1.00 0.00 S ATOM 0 H CYS A 59 16.551 -1.000 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 59 13.997 0.136 -5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 59 16.133 -0.997 -7.205 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.459 -0.769 -7.671 1.00 0.00 H new ATOM 0 HG CYS A 59 15.444 2.038 -6.264 1.00 0.00 H new ATOM 541 N LYS A 60 13.174 -2.313 -5.874 1.00 0.00 N ATOM 542 CA LYS A 60 12.616 -3.650 -5.705 1.00 0.00 C ATOM 543 C LYS A 60 12.572 -4.372 -7.040 1.00 0.00 C ATOM 544 O LYS A 60 12.286 -3.768 -8.072 1.00 0.00 O ATOM 545 CB LYS A 60 11.209 -3.564 -5.113 1.00 0.00 C ATOM 546 CG LYS A 60 11.293 -2.962 -3.712 1.00 0.00 C ATOM 547 CD LYS A 60 9.891 -2.881 -3.111 1.00 0.00 C ATOM 548 CE LYS A 60 9.973 -2.286 -1.705 1.00 0.00 C ATOM 549 NZ LYS A 60 8.603 -2.187 -1.128 1.00 0.00 N ATOM 0 H LYS A 60 12.619 -1.688 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 60 13.254 -4.210 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.570 -2.950 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.758 -4.555 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.937 -3.573 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.740 -1.969 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.249 -2.266 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.443 -3.874 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.602 -2.910 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.436 -1.300 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.658 -1.782 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.016 -1.575 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.178 -3.135 -1.079 1.00 0.00 H new ATOM 563 N THR A 61 12.864 -5.666 -7.026 1.00 0.00 N ATOM 564 CA THR A 61 12.856 -6.431 -8.265 1.00 0.00 C ATOM 565 C THR A 61 11.534 -7.203 -8.408 1.00 0.00 C ATOM 566 O THR A 61 11.056 -7.786 -7.438 1.00 0.00 O ATOM 567 CB THR A 61 14.028 -7.417 -8.284 1.00 0.00 C ATOM 568 OG1 THR A 61 15.160 -6.815 -7.673 1.00 0.00 O ATOM 569 CG2 THR A 61 14.371 -7.762 -9.732 1.00 0.00 C ATOM 0 H THR A 61 13.104 -6.198 -6.190 1.00 0.00 H new ATOM 0 HA THR A 61 12.956 -5.737 -9.099 1.00 0.00 H new ATOM 0 HB THR A 61 13.753 -8.321 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.137 -6.981 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.205 -8.464 -9.751 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.504 -8.215 -10.213 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.649 -6.854 -10.266 1.00 0.00 H new ATOM 577 N PRO A 62 10.941 -7.232 -9.583 1.00 0.00 N ATOM 578 CA PRO A 62 9.655 -7.969 -9.817 1.00 0.00 C ATOM 579 C PRO A 62 9.728 -9.432 -9.368 1.00 0.00 C ATOM 580 O PRO A 62 8.756 -9.983 -8.851 1.00 0.00 O ATOM 581 CB PRO A 62 9.469 -7.895 -11.335 1.00 0.00 C ATOM 582 CG PRO A 62 10.223 -6.683 -11.763 1.00 0.00 C ATOM 583 CD PRO A 62 11.412 -6.566 -10.812 1.00 0.00 C ATOM 0 HA PRO A 62 8.834 -7.533 -9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.854 -8.791 -11.823 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.414 -7.816 -11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.558 -6.777 -12.796 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.594 -5.794 -11.712 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.299 -7.053 -11.217 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.677 -5.525 -10.627 1.00 0.00 H new ATOM 591 N MET A 63 10.886 -10.055 -9.569 1.00 0.00 N ATOM 592 CA MET A 63 11.071 -11.452 -9.180 1.00 0.00 C ATOM 593 C MET A 63 10.841 -11.635 -7.680 1.00 0.00 C ATOM 594 O MET A 63 10.604 -12.749 -7.212 1.00 0.00 O ATOM 595 CB MET A 63 12.480 -11.911 -9.553 1.00 0.00 C ATOM 596 CG MET A 63 13.508 -11.061 -8.811 1.00 0.00 C ATOM 597 SD MET A 63 15.162 -11.410 -9.463 1.00 0.00 S ATOM 598 CE MET A 63 14.965 -10.638 -11.094 1.00 0.00 C ATOM 0 H MET A 63 11.704 -9.620 -9.995 1.00 0.00 H new ATOM 0 HA MET A 63 10.340 -12.059 -9.714 1.00 0.00 H new ATOM 0 HB2 MET A 63 12.610 -12.963 -9.298 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.629 -11.823 -10.629 1.00 0.00 H new ATOM 0 HG2 MET A 63 13.274 -10.003 -8.929 1.00 0.00 H new ATOM 0 HG3 MET A 63 13.473 -11.278 -7.743 1.00 0.00 H new ATOM 0 HE1 MET A 63 15.061 -11.397 -11.870 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.981 -10.174 -11.160 1.00 0.00 H new ATOM 0 HE3 MET A 63 15.734 -9.878 -11.232 1.00 0.00 H new ATOM 608 N GLY A 64 10.904 -10.535 -6.931 1.00 0.00 N ATOM 609 CA GLY A 64 10.688 -10.589 -5.487 1.00 0.00 C ATOM 610 C GLY A 64 11.919 -10.108 -4.729 1.00 0.00 C ATOM 611 O GLY A 64 11.804 -9.422 -3.715 1.00 0.00 O ATOM 0 H GLY A 64 11.101 -9.603 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.830 -9.972 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.450 -11.610 -5.190 1.00 0.00 H new ATOM 615 N MET A 65 13.096 -10.459 -5.232 1.00 0.00 N ATOM 616 CA MET A 65 14.343 -10.061 -4.591 1.00 0.00 C ATOM 617 C MET A 65 14.469 -8.541 -4.560 1.00 0.00 C ATOM 618 O MET A 65 14.049 -7.848 -5.487 1.00 0.00 O ATOM 619 CB MET A 65 15.537 -10.647 -5.347 1.00 0.00 C ATOM 620 CG MET A 65 15.544 -12.173 -5.209 1.00 0.00 C ATOM 621 SD MET A 65 16.982 -12.853 -6.075 1.00 0.00 S ATOM 622 CE MET A 65 18.235 -12.355 -4.864 1.00 0.00 C ATOM 0 H MET A 65 13.213 -11.016 -6.078 1.00 0.00 H new ATOM 0 HA MET A 65 14.335 -10.441 -3.570 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.484 -10.369 -6.400 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.466 -10.233 -4.954 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.575 -12.453 -4.156 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.626 -12.590 -5.623 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.138 -12.947 -5.011 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.468 -11.298 -4.995 1.00 0.00 H new ATOM 0 HE3 MET A 65 17.853 -12.520 -3.857 1.00 0.00 H new ATOM 632 N TRP A 66 15.040 -8.037 -3.473 1.00 0.00 N ATOM 633 CA TRP A 66 15.216 -6.601 -3.294 1.00 0.00 C ATOM 634 C TRP A 66 16.632 -6.169 -3.659 1.00 0.00 C ATOM 635 O TRP A 66 17.572 -6.967 -3.622 1.00 0.00 O ATOM 636 CB TRP A 66 14.924 -6.214 -1.841 1.00 0.00 C ATOM 637 CG TRP A 66 13.455 -6.333 -1.558 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.510 -6.711 -2.451 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.753 -6.071 -0.308 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.274 -6.691 -1.829 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.372 -6.304 -0.507 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.179 -5.657 0.966 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.445 -6.128 0.523 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.251 -5.482 2.003 1.00 0.00 C ATOM 645 CH2 TRP A 66 10.887 -5.716 1.783 1.00 0.00 C ATOM 0 H TRP A 66 15.390 -8.603 -2.700 1.00 0.00 H new ATOM 0 HA TRP A 66 14.517 -6.092 -3.958 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.485 -6.859 -1.165 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.256 -5.193 -1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.691 -6.984 -3.480 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.397 -6.933 -2.291 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.228 -5.473 1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.395 -6.309 0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.590 -5.165 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.178 -5.578 2.586 1.00 0.00 H new ATOM 656 N THR A 67 16.770 -4.899 -4.017 1.00 0.00 N ATOM 657 CA THR A 67 18.066 -4.349 -4.388 1.00 0.00 C ATOM 658 C THR A 67 18.477 -3.271 -3.391 1.00 0.00 C ATOM 659 O THR A 67 17.674 -2.408 -3.028 1.00 0.00 O ATOM 660 CB THR A 67 18.011 -3.762 -5.799 1.00 0.00 C ATOM 661 OG1 THR A 67 17.653 -4.782 -6.722 1.00 0.00 O ATOM 662 CG2 THR A 67 19.385 -3.201 -6.164 1.00 0.00 C ATOM 0 H THR A 67 16.000 -4.231 -4.058 1.00 0.00 H new ATOM 0 HA THR A 67 18.804 -5.151 -4.372 1.00 0.00 H new ATOM 0 HB THR A 67 17.269 -2.964 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.462 -5.239 -7.034 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.351 -2.781 -7.169 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.660 -2.421 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.125 -4.000 -6.129 1.00 0.00 H new ATOM 670 N GLY A 68 19.734 -3.314 -2.966 1.00 0.00 N ATOM 671 CA GLY A 68 20.239 -2.333 -2.016 1.00 0.00 C ATOM 672 C GLY A 68 21.755 -2.208 -2.111 1.00 0.00 C ATOM 673 O GLY A 68 22.380 -2.768 -3.013 1.00 0.00 O ATOM 0 H GLY A 68 20.417 -4.012 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.778 -1.364 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.958 -2.624 -1.004 1.00 0.00 H new ATOM 677 N MET A 69 22.336 -1.461 -1.179 1.00 0.00 N ATOM 678 CA MET A 69 23.781 -1.254 -1.159 1.00 0.00 C ATOM 679 C MET A 69 24.375 -1.720 0.165 1.00 0.00 C ATOM 680 O MET A 69 23.794 -1.504 1.228 1.00 0.00 O ATOM 681 CB MET A 69 24.103 0.227 -1.376 1.00 0.00 C ATOM 682 CG MET A 69 25.623 0.436 -1.346 1.00 0.00 C ATOM 683 SD MET A 69 26.161 0.791 0.347 1.00 0.00 S ATOM 684 CE MET A 69 25.560 2.498 0.426 1.00 0.00 C ATOM 0 H MET A 69 21.831 -0.989 -0.429 1.00 0.00 H new ATOM 0 HA MET A 69 24.221 -1.841 -1.965 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.699 0.561 -2.332 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.628 0.830 -0.602 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.129 -0.455 -1.719 1.00 0.00 H new ATOM 0 HG3 MET A 69 25.899 1.259 -2.005 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.392 3.167 0.649 1.00 0.00 H new ATOM 0 HE2 MET A 69 25.120 2.773 -0.532 1.00 0.00 H new ATOM 0 HE3 MET A 69 24.807 2.583 1.209 1.00 0.00 H new ATOM 694 N LEU A 70 25.539 -2.359 0.088 1.00 0.00 N ATOM 695 CA LEU A 70 26.216 -2.853 1.281 1.00 0.00 C ATOM 696 C LEU A 70 27.720 -2.608 1.186 1.00 0.00 C ATOM 697 O LEU A 70 28.411 -3.223 0.375 1.00 0.00 O ATOM 698 CB LEU A 70 25.948 -4.348 1.443 1.00 0.00 C ATOM 699 CG LEU A 70 25.403 -4.621 2.844 1.00 0.00 C ATOM 700 CD1 LEU A 70 24.889 -6.059 2.923 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.515 -4.425 3.877 1.00 0.00 C ATOM 0 H LEU A 70 26.031 -2.546 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 70 25.830 -2.316 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.233 -4.683 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.867 -4.912 1.283 1.00 0.00 H new ATOM 0 HG LEU A 70 24.587 -3.929 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.501 -6.252 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.094 -6.202 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.705 -6.749 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.123 -4.620 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.333 -5.115 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.883 -3.400 3.826 1.00 0.00 H new ATOM 713 N ASN A 71 28.222 -1.714 2.027 1.00 0.00 N ATOM 714 CA ASN A 71 29.647 -1.405 2.032 1.00 0.00 C ATOM 715 C ASN A 71 30.101 -1.012 0.631 1.00 0.00 C ATOM 716 O ASN A 71 31.065 -1.568 0.107 1.00 0.00 O ATOM 717 CB ASN A 71 30.442 -2.628 2.485 1.00 0.00 C ATOM 718 CG ASN A 71 29.837 -3.194 3.758 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.511 -4.454 3.792 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 29.654 -2.474 4.740 1.00 0.00 N flip ATOM 0 H ASN A 71 27.670 -1.194 2.709 1.00 0.00 H new ATOM 0 HA ASN A 71 29.821 -0.577 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.438 -3.386 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.483 -2.353 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.912 -1.488 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.244 -2.864 5.589 1.00 0.00 H new ATOM 727 N ASN A 72 29.401 -0.059 0.026 1.00 0.00 N ATOM 728 CA ASN A 72 29.737 0.388 -1.322 1.00 0.00 C ATOM 729 C ASN A 72 29.587 -0.754 -2.322 1.00 0.00 C ATOM 730 O ASN A 72 30.365 -0.869 -3.268 1.00 0.00 O ATOM 731 CB ASN A 72 31.178 0.903 -1.356 1.00 0.00 C ATOM 732 CG ASN A 72 31.379 1.809 -2.566 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.491 2.587 -2.915 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.499 1.752 -3.234 1.00 0.00 N ATOM 0 H ASN A 72 28.602 0.417 0.444 1.00 0.00 H new ATOM 0 HA ASN A 72 29.052 1.191 -1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.399 1.451 -0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.872 0.064 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.639 2.353 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.234 1.107 -2.944 1.00 0.00 H new ATOM 741 N LYS A 73 28.570 -1.587 -2.115 1.00 0.00 N ATOM 742 CA LYS A 73 28.326 -2.705 -3.022 1.00 0.00 C ATOM 743 C LYS A 73 26.830 -2.828 -3.311 1.00 0.00 C ATOM 744 O LYS A 73 26.047 -3.151 -2.426 1.00 0.00 O ATOM 745 CB LYS A 73 28.829 -4.005 -2.388 1.00 0.00 C ATOM 746 CG LYS A 73 28.901 -5.106 -3.450 1.00 0.00 C ATOM 747 CD LYS A 73 30.090 -4.848 -4.379 1.00 0.00 C ATOM 748 CE LYS A 73 30.303 -6.063 -5.282 1.00 0.00 C ATOM 749 NZ LYS A 73 31.489 -5.832 -6.153 1.00 0.00 N ATOM 0 H LYS A 73 27.911 -1.512 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 73 28.859 -2.524 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 73 29.813 -3.848 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.162 -4.309 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 73 29.005 -6.080 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 73 27.976 -5.131 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 73 29.907 -3.960 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 73 30.988 -4.655 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.451 -6.958 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 73 29.417 -6.235 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 31.635 -6.658 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.330 -4.988 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 32.332 -5.688 -5.561 1.00 0.00 H new ATOM 763 N VAL A 74 26.441 -2.576 -4.555 1.00 0.00 N ATOM 764 CA VAL A 74 25.032 -2.663 -4.930 1.00 0.00 C ATOM 765 C VAL A 74 24.738 -3.980 -5.639 1.00 0.00 C ATOM 766 O VAL A 74 25.408 -4.338 -6.607 1.00 0.00 O ATOM 767 CB VAL A 74 24.663 -1.497 -5.850 1.00 0.00 C ATOM 768 CG1 VAL A 74 23.201 -1.625 -6.282 1.00 0.00 C ATOM 769 CG2 VAL A 74 24.858 -0.177 -5.101 1.00 0.00 C ATOM 0 H VAL A 74 27.070 -2.313 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 74 24.435 -2.615 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 74 25.303 -1.516 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 74 22.941 -0.793 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.060 -2.565 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 74 22.559 -1.608 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 74 24.596 0.655 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.218 -0.161 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.900 -0.083 -4.795 1.00 0.00 H new ATOM 779 N GLY A 75 23.734 -4.700 -5.146 1.00 0.00 N ATOM 780 CA GLY A 75 23.363 -5.981 -5.738 1.00 0.00 C ATOM 781 C GLY A 75 21.989 -6.428 -5.256 1.00 0.00 C ATOM 782 O GLY A 75 21.291 -5.688 -4.557 1.00 0.00 O ATOM 0 H GLY A 75 23.167 -4.421 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.361 -5.896 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.106 -6.735 -5.478 1.00 0.00 H new ATOM 786 N ASN A 76 21.606 -7.641 -5.639 1.00 0.00 N ATOM 787 CA ASN A 76 20.311 -8.180 -5.248 1.00 0.00 C ATOM 788 C ASN A 76 20.472 -9.184 -4.108 1.00 0.00 C ATOM 789 O ASN A 76 21.505 -9.841 -3.983 1.00 0.00 O ATOM 790 CB ASN A 76 19.652 -8.869 -6.444 1.00 0.00 C ATOM 791 CG ASN A 76 19.473 -7.874 -7.585 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.119 -6.719 -7.355 1.00 0.00 O ATOM 793 ND2 ASN A 76 19.697 -8.257 -8.814 1.00 0.00 N ATOM 0 H ASN A 76 22.170 -8.265 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 76 19.682 -7.357 -4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.265 -9.707 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.685 -9.277 -6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.578 -7.598 -9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 76 19.991 -9.215 -9.004 1.00 0.00 H new ATOM 800 N PHE A 77 19.438 -9.291 -3.283 1.00 0.00 N ATOM 801 CA PHE A 77 19.458 -10.214 -2.155 1.00 0.00 C ATOM 802 C PHE A 77 18.048 -10.690 -1.821 1.00 0.00 C ATOM 803 O PHE A 77 17.059 -10.048 -2.177 1.00 0.00 O ATOM 804 CB PHE A 77 20.084 -9.532 -0.935 1.00 0.00 C ATOM 805 CG PHE A 77 19.335 -8.259 -0.636 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.194 -8.290 0.170 1.00 0.00 C ATOM 807 CD2 PHE A 77 19.787 -7.046 -1.166 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.502 -7.105 0.443 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.096 -5.861 -0.892 1.00 0.00 C ATOM 810 CZ PHE A 77 17.952 -5.891 -0.087 1.00 0.00 C ATOM 0 H PHE A 77 18.577 -8.752 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 77 20.058 -11.082 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.049 -10.199 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.135 -9.313 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.847 -9.226 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.670 -7.024 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.619 -7.128 1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.445 -4.924 -1.301 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.417 -4.977 0.125 1.00 0.00 H new ATOM 820 N LYS A 78 17.965 -11.826 -1.138 1.00 0.00 N ATOM 821 CA LYS A 78 16.674 -12.390 -0.769 1.00 0.00 C ATOM 822 C LYS A 78 16.020 -11.574 0.336 1.00 0.00 C ATOM 823 O LYS A 78 16.546 -11.476 1.445 1.00 0.00 O ATOM 824 CB LYS A 78 16.847 -13.830 -0.287 1.00 0.00 C ATOM 825 CG LYS A 78 15.864 -14.744 -1.022 1.00 0.00 C ATOM 826 CD LYS A 78 16.454 -15.147 -2.375 1.00 0.00 C ATOM 827 CE LYS A 78 15.358 -15.755 -3.252 1.00 0.00 C ATOM 828 NZ LYS A 78 14.895 -17.037 -2.650 1.00 0.00 N ATOM 0 H LYS A 78 18.771 -12.371 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 78 16.036 -12.369 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.870 -14.162 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.676 -13.886 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.660 -15.632 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.913 -14.231 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.887 -14.277 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.260 -15.866 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.523 -15.061 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.738 -15.930 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.291 -17.542 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.718 -17.627 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.352 -16.838 -1.786 1.00 0.00 H new ATOM 842 N PHE A 79 14.869 -10.998 0.023 1.00 0.00 N ATOM 843 CA PHE A 79 14.139 -10.196 0.996 1.00 0.00 C ATOM 844 C PHE A 79 13.715 -11.049 2.188 1.00 0.00 C ATOM 845 O PHE A 79 13.558 -10.544 3.293 1.00 0.00 O ATOM 846 CB PHE A 79 12.902 -9.571 0.346 1.00 0.00 C ATOM 847 CG PHE A 79 12.011 -10.666 -0.188 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.039 -11.249 0.633 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.157 -11.092 -1.510 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.217 -12.264 0.127 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.338 -12.103 -2.017 1.00 0.00 C ATOM 852 CZ PHE A 79 10.366 -12.691 -1.200 1.00 0.00 C ATOM 0 H PHE A 79 14.422 -11.069 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 79 14.800 -9.404 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.360 -8.968 1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.200 -8.903 -0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.923 -10.917 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 79 12.906 -10.638 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.468 -12.718 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.455 -12.431 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.732 -13.473 -1.591 1.00 0.00 H new ATOM 862 N ILE A 80 13.531 -12.346 1.962 1.00 0.00 N ATOM 863 CA ILE A 80 13.126 -13.246 3.039 1.00 0.00 C ATOM 864 C ILE A 80 14.194 -13.310 4.135 1.00 0.00 C ATOM 865 O ILE A 80 13.882 -13.458 5.316 1.00 0.00 O ATOM 866 CB ILE A 80 12.889 -14.641 2.473 1.00 0.00 C ATOM 867 CG1 ILE A 80 12.285 -15.528 3.558 1.00 0.00 C ATOM 868 CG2 ILE A 80 14.213 -15.241 1.995 1.00 0.00 C ATOM 869 CD1 ILE A 80 12.008 -16.912 2.980 1.00 0.00 C ATOM 0 H ILE A 80 13.654 -12.795 1.054 1.00 0.00 H new ATOM 0 HA ILE A 80 12.206 -12.863 3.481 1.00 0.00 H new ATOM 0 HB ILE A 80 12.203 -14.577 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.968 -15.604 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.362 -15.086 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 80 14.036 -16.238 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 80 14.641 -14.606 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 80 14.906 -15.307 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.576 -17.549 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.309 -16.826 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.940 -17.352 2.626 1.00 0.00 H new ATOM 881 N TYR A 81 15.451 -13.191 3.725 1.00 0.00 N ATOM 882 CA TYR A 81 16.572 -13.229 4.657 1.00 0.00 C ATOM 883 C TYR A 81 16.810 -11.849 5.280 1.00 0.00 C ATOM 884 O TYR A 81 17.726 -11.668 6.090 1.00 0.00 O ATOM 885 CB TYR A 81 17.835 -13.702 3.918 1.00 0.00 C ATOM 886 CG TYR A 81 17.672 -15.152 3.494 1.00 0.00 C ATOM 887 CD1 TYR A 81 18.036 -15.542 2.198 1.00 0.00 C ATOM 888 CD2 TYR A 81 17.150 -16.099 4.385 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.875 -16.873 1.795 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.992 -17.431 3.982 1.00 0.00 C ATOM 891 CZ TYR A 81 17.354 -17.816 2.687 1.00 0.00 C ATOM 892 OH TYR A 81 17.195 -19.128 2.289 1.00 0.00 O ATOM 0 H TYR A 81 15.721 -13.067 2.749 1.00 0.00 H new ATOM 0 HA TYR A 81 16.338 -13.927 5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.012 -13.076 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.706 -13.599 4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.441 -14.815 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.869 -15.801 5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.153 -17.172 0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.591 -18.160 4.670 1.00 0.00 H new ATOM 0 HH TYR A 81 16.822 -19.651 3.029 1.00 0.00 H new ATOM 902 N VAL A 82 15.979 -10.875 4.913 1.00 0.00 N ATOM 903 CA VAL A 82 16.119 -9.534 5.450 1.00 0.00 C ATOM 904 C VAL A 82 14.768 -9.002 5.914 1.00 0.00 C ATOM 905 O VAL A 82 13.719 -9.505 5.518 1.00 0.00 O ATOM 906 CB VAL A 82 16.687 -8.611 4.374 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.547 -7.863 3.677 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.647 -7.611 5.015 1.00 0.00 C ATOM 0 H VAL A 82 15.211 -10.993 4.252 1.00 0.00 H new ATOM 0 HA VAL A 82 16.796 -9.567 6.304 1.00 0.00 H new ATOM 0 HB VAL A 82 17.225 -9.206 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.958 -7.206 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.870 -8.581 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.001 -7.269 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.052 -6.952 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 82 17.112 -7.018 5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.462 -8.148 5.499 1.00 0.00 H new ATOM 918 N ASP A 83 14.803 -7.980 6.752 1.00 0.00 N ATOM 919 CA ASP A 83 13.580 -7.374 7.257 1.00 0.00 C ATOM 920 C ASP A 83 13.568 -5.883 6.949 1.00 0.00 C ATOM 921 O ASP A 83 14.582 -5.200 7.098 1.00 0.00 O ATOM 922 CB ASP A 83 13.455 -7.590 8.764 1.00 0.00 C ATOM 923 CG ASP A 83 12.065 -7.175 9.236 1.00 0.00 C ATOM 924 OD1 ASP A 83 11.248 -6.845 8.392 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.837 -7.194 10.434 1.00 0.00 O ATOM 0 H ASP A 83 15.662 -7.552 7.097 1.00 0.00 H new ATOM 0 HA ASP A 83 12.733 -7.850 6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.632 -8.638 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.214 -7.009 9.287 1.00 0.00 H new ATOM 930 N VAL A 84 12.411 -5.387 6.520 1.00 0.00 N ATOM 931 CA VAL A 84 12.267 -3.971 6.190 1.00 0.00 C ATOM 932 C VAL A 84 11.892 -3.163 7.427 1.00 0.00 C ATOM 933 O VAL A 84 10.898 -3.454 8.093 1.00 0.00 O ATOM 934 CB VAL A 84 11.197 -3.773 5.101 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.971 -4.646 5.390 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.775 -2.299 5.067 1.00 0.00 C ATOM 0 H VAL A 84 11.564 -5.940 6.393 1.00 0.00 H new ATOM 0 HA VAL A 84 13.227 -3.617 5.814 1.00 0.00 H new ATOM 0 HB VAL A 84 11.616 -4.063 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.224 -4.494 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.267 -5.695 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.548 -4.371 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.017 -2.155 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.365 -2.015 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.642 -1.677 4.844 1.00 0.00 H new ATOM 946 N ILE A 85 12.694 -2.142 7.724 1.00 0.00 N ATOM 947 CA ILE A 85 12.432 -1.289 8.878 1.00 0.00 C ATOM 948 C ILE A 85 12.429 0.185 8.475 1.00 0.00 C ATOM 949 O ILE A 85 13.116 0.589 7.534 1.00 0.00 O ATOM 950 CB ILE A 85 13.489 -1.529 9.961 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.881 -1.230 9.399 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.438 -2.991 10.411 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.895 -1.167 10.542 1.00 0.00 C ATOM 0 H ILE A 85 13.523 -1.888 7.186 1.00 0.00 H new ATOM 0 HA ILE A 85 11.448 -1.542 9.273 1.00 0.00 H new ATOM 0 HB ILE A 85 13.287 -0.874 10.808 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.170 -2.002 8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.870 -0.284 8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.190 -3.161 11.181 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.450 -3.214 10.813 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.638 -3.641 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.885 -0.954 10.139 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.610 -0.379 11.239 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.914 -2.123 11.065 1.00 0.00 H new ATOM 965 N SER A 86 11.656 0.985 9.199 1.00 0.00 N ATOM 966 CA SER A 86 11.575 2.413 8.915 1.00 0.00 C ATOM 967 C SER A 86 12.711 3.164 9.599 1.00 0.00 C ATOM 968 O SER A 86 13.052 2.883 10.748 1.00 0.00 O ATOM 969 CB SER A 86 10.234 2.967 9.393 1.00 0.00 C ATOM 970 OG SER A 86 10.210 4.373 9.187 1.00 0.00 O ATOM 0 H SER A 86 11.080 0.673 9.981 1.00 0.00 H new ATOM 0 HA SER A 86 11.662 2.552 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.417 2.494 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.088 2.739 10.449 1.00 0.00 H new ATOM 0 HG SER A 86 9.351 4.733 9.491 1.00 0.00 H new ATOM 976 N GLU A 87 13.291 4.123 8.885 1.00 0.00 N ATOM 977 CA GLU A 87 14.386 4.916 9.434 1.00 0.00 C ATOM 978 C GLU A 87 15.594 4.032 9.729 1.00 0.00 C ATOM 979 O GLU A 87 15.689 2.973 9.130 1.00 0.00 O ATOM 980 CB GLU A 87 13.930 5.607 10.721 1.00 0.00 C ATOM 981 CG GLU A 87 14.570 6.994 10.817 1.00 0.00 C ATOM 982 CD GLU A 87 14.019 7.897 9.717 1.00 0.00 C ATOM 983 OE1 GLU A 87 12.941 7.607 9.226 1.00 0.00 O ATOM 984 OE2 GLU A 87 14.683 8.865 9.385 1.00 0.00 O ATOM 0 H GLU A 87 13.024 4.369 7.932 1.00 0.00 H new ATOM 0 HA GLU A 87 14.673 5.667 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.844 5.696 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.210 5.006 11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.366 7.431 11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.653 6.912 10.724 1.00 0.00 H new